N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide

C17H23N7O3 — CID 122295239

IUPACN-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESCc1cc(N2CCOCC2)nc(NCCNC(=O)Cn2ncccc2=O)n1
InChIInChI=1S/C17H23N7O3/c1-13-11-14(23-7-9-27-10-8-23)22-17(21-13)19-6-5-18-15(25)12-24-16(26)3-2-4-20-24/h2-4,11H,5-10,12H2,1H3,(H,18,25)(H,19,21,22)
InChIKeyUEKBRNYOFPKNLC-UHFFFAOYSA-N
MW373.42 g/mol
LogP-0.59
Rot. Bonds7

About N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide

N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 122295239) has the molecular formula C17H23N7O3 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID122295239
Molecular FormulaC17H23N7O3
Molecular Weight373.42 g/mol
Exact Mass373.19
IUPAC NameN-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESCc1cc(N2CCOCC2)nc(NCCNC(=O)Cn2ncccc2=O)n1
InChIInChI=1S/C17H23N7O3/c1-13-11-14(23-7-9-27-10-8-23)22-17(21-13)19-6-5-18-15(25)12-24-16(26)3-2-4-20-24/h2-4,11H,5-10,12H2,1H3,(H,18,25)(H,19,21,22)
InChIKeyUEKBRNYOFPKNLC-UHFFFAOYSA-N
XLogP-0.59
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122295488
2-methyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]propanamide
CID 121075210
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122293952
N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122325125
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-3-phenylpropanamide
CID 121075251
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075218
2-(2-chloro-6-fluorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide
CID 122295266
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122295248
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]naphthalene-2-carboxamide
CID 121075246
1-(3-chloro-4-methylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea
CID 121075689
1-(2-ethylphenyl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea
CID 121075703
3-bromo-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075278

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide (CID 122295239) is N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide is Cc1cc(N2CCOCC2)nc(NCCNC(=O)Cn2ncccc2=O)n1.
What is the InChIKey of N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is UEKBRNYOFPKNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O3/c1-13-11-14(23-7-9-27-10-8-23)22-17(21-13)19-6-5-18-15(25)12-24-16(26)3-2-4-20-24/h2-4,11H,5-10,12H2,1H3,(H,18,25)(H,19,21,22).
What are the key properties of N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide?
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 373.42 g/mol, XLogP of -0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 122295239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).